0 B7R0.1 C=CCCCN=C=S HMDB0034300 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.1 CCCC/C=C/C=C HMDB0040966 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCC/C=C/C=O HMDB0033827 [0,0,0,0,0,0|1,1,2]=4 3 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,0,0,0,0|1,1,1]=3 5 B7R0.1 CCCCCCCO HMDB0031479 [0,0,0,0,0,0|1,1,1]=3 6 B7R0.1 CCCCCCCS HMDB0032304 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 CCCCCCOC HMDB0032407 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 CCCCCN=C=S HMDB0038433 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.1 CCCCCOC=O HMDB0040327 [0,0,0,0,0,0|1,1,1]=3 10 B7R0.1 CCCCCSSC HMDB0031161 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.1 CCCCOCCO HMDB0031327 [0,0,0,0,0,0|2,1,1]=4 12 B7R0.1 CCCCSSCC HMDB0032180 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 CSCCCN=C=S HMDB0034370 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.1 SCCCCCCS HMDB0031709 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 C=CCCN=C=S HMDB0033867 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|0,1,1]=3 19 B6R0.6 CCCCCCS HMDB0039806 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.6 CCCCOC=O HMDB0040575 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|1,1,0]=3 24 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 CSCCCC=O HMDB0037474 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.6 CSCCCCO HMDB0041562 [1,0,0,0,0,0|1,1,1]=4 27 B6R0.6 CSCCN=C=S HMDB0038442 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.4 C=CCCCCN=C=S HMDB0038436 [0,1,0,0,0,0|0,0,1]=2 30 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,1,0,0,0,0|1,1,1]=4 31 B8R0.4 CCCCC/C=C\CO HMDB0031296 [0,1,0,0,0,0|1,1,1]=4 32 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.4 CCCCCCCCC HMDB0029595 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.4 CCCCCCCCO HMDB0001183 [0,1,0,0,0,0|1,1,1]=4 35 B8R0.4 CCCCCCN=C=S HMDB0038432 [0,1,0,0,0,0|0,0,0]=1 36 B8R0.4 CCCCCCOC=O HMDB0032874 [0,1,0,0,0,0|1,1,1]=4 37 B8R0.4 CCCCSCCCC HMDB0031660 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.4 CS/C=C\CCN=C=S HMDB0031576 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.4 CSCCCCN=C=S HMDB0033764 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.4 CSCCCCSC#N HMDB0038446 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.6 CCCCCC(=O)OC HMDB0035238 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.6 CCCCCC(S)SC HMDB0039783 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.7 CC(C)CCCN=C=S HMDB0038435 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|1,1,1]=4 51 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,0,0,0,0|1,1,1]=4 53 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,0,0,0,0|1,1,1]=4 54 B8R0.7 CCCCCOC(C)=O HMDB0039095 [0,1,0,0,0,0|1,1,1]=4 55 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,0,0,1,0,0|0,1,2]=4 56 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,0,0|1,1,1]=4 57 B5R0.2 CCCCC#N HMDB0040173 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,1,1]=4 59 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,1]=3 60 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|0,0,1]=3 61 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,1,0]=4 62 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|1,1,0]=4 63 B7R0.3 CCCCC(C)C=O HMDB0040191 [1,1,0,0,0,0|0,1,1]=4 64 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.3 CCCCC(O)CC HMDB0031481 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.4 CC(C)CCN=C=S HMDB0032341 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.4 CC(O)CCCCO HMDB0031490 [1,1,0,0,0,0|0,1,1]=4 68 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|0,1,1]=4 69 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|0,0,2]=4 70 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|0,1,1]=4 71 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|0,1,1]=4 72 B7R0.7 CCCC(S)CCO HMDB0040152 [1,1,0,0,0,0|0,1,1]=4 73 B9R0.2 CS(=O)/C=C/CCN=C=S HMDB0031573 [0,2,0,0,0,0|0,0,2]=4 74 B9R0.2 CS(=O)CCCCN=C=S HMDB0005792 [0,2,0,0,0,0|0,0,0]=2 75 B9R0.45 C=CCCCCCN=C=S HMDB0038434 [0,2,0,0,0,0|0,0,0]=2 76 B9R0.45 CSCCCCCN=C=S HMDB0031577 [0,2,0,0,0,0|0,0,0]=2 77 B7R1.1 O=NN1CCCC1 HMDB0031642 [1,0,0,1,0,0|1,1,0]=4 78 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|1,0,1]=4